SCHEMBL3000210

SCHEMBL3000210

CCN(C(=O)CCC(Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1)C(=O)NC

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
EGFR P00533 4/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
KMT2A Q03164 1/20 0.31
CDK1 P06493 1/20 0.31
ERBB2 P04626 3/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2995800 0.92 HRH4 (0.33) HRH4HRH3EGFRCNR1CNR2
SCHEMBL2993036 0.91 HRH4 (0.34) HRH4HRH3EGFRCNR1CNR2
SCHEMBL3000209 0.88 EGFR (0.33) HRH4HRH3EGFRCDK1ERBB2
SCHEMBL2990284 0.87 CNR1 (0.41) HRH4HRH3EGFRCNR1CNR2
SCHEMBL2990285 0.87 CNR1 (0.41) HRH4HRH3EGFRCNR1CNR2
SCHEMBL2996587 0.87 CNR1 (0.37) HRH4HRH3EGFRCNR1CNR2
SCHEMBL3000004 0.87 CNR1 (0.37) HRH4HRH3EGFRCNR1CNR2
SCHEMBL4157324 0.87 HRH4 (0.33) HRH4HRH3EGFRCNR1CNR2
SCHEMBL4148837 0.87 CCKBR (0.34) HRH4HRH3EGFRCNR1CNR2
SCHEMBL4150804 0.87 CNR1 (0.34) HRH4HRH3EGFRCNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-1885354-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS Boehringer Ingelheim International GmbH (DE) 2008-02-13 EP disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103206-A2 COMBINATIONS COMPRISING AT LEAST ONE DIRECT THROMBIN INHIBITOR FOR THE TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 HRH4 235/4885HRH3 242/4885EGFR 2339/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 HRH4 235/4885HRH3 242/4885EGFR 2339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.